N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl(3-methylbutyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl(3-methylbutyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl(isopentyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[cyclopropyl(3-methylbutyl)amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[cyclopropyl(3-methylbutyl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl(isoamyl)amino]acetamide Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CC3

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CC3

InChI

InChI=1S/C23H37N3O4S/c1-18(2)12-15-25(19-8-9-19)17-23(27)24-21-16-20(10-11-22(21)30-3)31(28,29)26-13-6-4-5-7-14-26/h10-11,16,18-19H,4-9,12-15,17H2,1-3H3,(H,24,27)